Home Carboxys 1-tert-Butyl 5-methyl 3-iodo-1H-indazole-1,5-dicarboxylate

1-tert-Butyl 5-methyl 3-iodo-1H-indazole-1,5-dicarboxylate

CAS No.:
944904-57-8
Catalog Number:
AG00II9X
Molecular Formula:
C14H15IN2O4
Molecular Weight:
402.1844
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$622
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Product Description
Catalog Number:
AG00II9X
Chemical Name:
1-tert-Butyl 5-methyl 3-iodo-1H-indazole-1,5-dicarboxylate
CAS Number:
944904-57-8
Molecular Formula:
C14H15IN2O4
Molecular Weight:
402.1844
MDL Number:
MFCD10696824
IUPAC Name:
1-O-tert-butyl 5-O-methyl 3-iodoindazole-1,5-dicarboxylate
InChI:
InChI=1S/C14H15IN2O4/c1-14(2,3)21-13(19)17-10-6-5-8(12(18)20-4)7-9(10)11(15)16-17/h5-7H,1-4H3
InChI Key:
GLKLIQCSYBOCII-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)c(I)nn2C(=O)OC(C)(C)C
Properties
Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.008g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.188g/mol
Monoisotopic Mass:
402.008g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties